Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix

[Image: see text] Small clusters of cesium–lead–iodide perovskites (CLIPs) have been prepared in the Na–X zeolite matrix and studied by means of spectroscopy and quantum chemical modeling. Regularity of pores in single crystals of zeolite assures the formation of clusters of a certain size. By the f...

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Autores principales: Dmitruk, Igor, Vikhrova, Yelyzaveta, Dmytruk, Andriy, Berezovska, Nataliya, Barnakov, Yuri, Vartik, Polina, Belosludov, Rodion V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8552230/
https://www.ncbi.nlm.nih.gov/pubmed/34722971
http://dx.doi.org/10.1021/acsomega.1c02864
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author Dmitruk, Igor
Vikhrova, Yelyzaveta
Dmytruk, Andriy
Berezovska, Nataliya
Barnakov, Yuri
Vartik, Polina
Belosludov, Rodion V.
author_facet Dmitruk, Igor
Vikhrova, Yelyzaveta
Dmytruk, Andriy
Berezovska, Nataliya
Barnakov, Yuri
Vartik, Polina
Belosludov, Rodion V.
author_sort Dmitruk, Igor
collection PubMed
description [Image: see text] Small clusters of cesium–lead–iodide perovskites (CLIPs) have been prepared in the Na–X zeolite matrix and studied by means of spectroscopy and quantum chemical modeling. Regularity of pores in single crystals of zeolite assures the formation of clusters of a certain size. By the first-principles quantum chemical calculations, we have determined that clusters Cs(4)PbI(6), Cs(5)Pb(2)I(9), and probably Cs(7)Pb(5)I(16) with a size of 0.74, 1.29, and 1.36 nm, respectively, have elevated stability compared to other species, and they fit into the pores of Na–X zeolite. Electronic energy spectra of these clusters have been calculated and compared with experimentally measured ones.
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spelling pubmed-85522302021-10-29 Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix Dmitruk, Igor Vikhrova, Yelyzaveta Dmytruk, Andriy Berezovska, Nataliya Barnakov, Yuri Vartik, Polina Belosludov, Rodion V. ACS Omega [Image: see text] Small clusters of cesium–lead–iodide perovskites (CLIPs) have been prepared in the Na–X zeolite matrix and studied by means of spectroscopy and quantum chemical modeling. Regularity of pores in single crystals of zeolite assures the formation of clusters of a certain size. By the first-principles quantum chemical calculations, we have determined that clusters Cs(4)PbI(6), Cs(5)Pb(2)I(9), and probably Cs(7)Pb(5)I(16) with a size of 0.74, 1.29, and 1.36 nm, respectively, have elevated stability compared to other species, and they fit into the pores of Na–X zeolite. Electronic energy spectra of these clusters have been calculated and compared with experimentally measured ones. American Chemical Society 2021-10-12 /pmc/articles/PMC8552230/ /pubmed/34722971 http://dx.doi.org/10.1021/acsomega.1c02864 Text en © 2021 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Dmitruk, Igor
Vikhrova, Yelyzaveta
Dmytruk, Andriy
Berezovska, Nataliya
Barnakov, Yuri
Vartik, Polina
Belosludov, Rodion V.
Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix
title Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix
title_full Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix
title_fullStr Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix
title_full_unstemmed Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix
title_short Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix
title_sort clusters of cesium–lead–iodide perovskites in the zeolite matrix
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8552230/
https://www.ncbi.nlm.nih.gov/pubmed/34722971
http://dx.doi.org/10.1021/acsomega.1c02864
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